2-(3-fluorophenyl)-2-methyl-1-[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]propan-1-one

C18H22FN3O2 — CID 124949023

IUPAC2-(3-fluorophenyl)-2-methyl-1-[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]propan-1-one
SMILESCc1cnc([C@H]2CN(C(=O)C(C)(C)c3cccc(F)c3)CCO2)[nH]1
InChIInChI=1S/C18H22FN3O2/c1-12-10-20-16(21-12)15-11-22(7-8-24-15)17(23)18(2,3)13-5-4-6-14(19)9-13/h4-6,9-10,15H,7-8,11H2,1-3H3,(H,20,21)/t15-/m1/s1
InChIKeyCQYHTRBSYZKZPD-OAHLLOKOSA-N
MW331.39 g/mol
LogP2.73
Rot. Bonds3

About 2-(3-fluorophenyl)-2-methyl-1-[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]propan-1-one

2-(3-fluorophenyl)-2-methyl-1-[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]propan-1-one (PubChem CID 124949023) has the molecular formula C18H22FN3O2 and a molecular weight of 331.39 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-2-methyl-1-[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name2-(3-fluorophenyl)-2-methyl-1-[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]propan-1-one
PubChem CID124949023
Molecular FormulaC18H22FN3O2
Molecular Weight331.39 g/mol
Exact Mass331.17
IUPAC Name2-(3-fluorophenyl)-2-methyl-1-[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]propan-1-one
SMILESCc1cnc([C@H]2CN(C(=O)C(C)(C)c3cccc(F)c3)CCO2)[nH]1
InChIInChI=1S/C18H22FN3O2/c1-12-10-20-16(21-12)15-11-22(7-8-24-15)17(23)18(2,3)13-5-4-6-14(19)9-13/h4-6,9-10,15H,7-8,11H2,1-3H3,(H,20,21)/t15-/m1/s1
InChIKeyCQYHTRBSYZKZPD-OAHLLOKOSA-N
XLogP2.73
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-2-methyl-1-[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]propan-1-one?
The IUPAC name of 2-(3-fluorophenyl)-2-methyl-1-[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]propan-1-one (CID 124949023) is 2-(3-fluorophenyl)-2-methyl-1-[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]propan-1-one.
What is the SMILES notation for 2-(3-fluorophenyl)-2-methyl-1-[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]propan-1-one?
The canonical SMILES for 2-(3-fluorophenyl)-2-methyl-1-[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]propan-1-one is Cc1cnc([C@H]2CN(C(=O)C(C)(C)c3cccc(F)c3)CCO2)[nH]1.
What is the InChIKey of 2-(3-fluorophenyl)-2-methyl-1-[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]propan-1-one?
The InChIKey is CQYHTRBSYZKZPD-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H22FN3O2/c1-12-10-20-16(21-12)15-11-22(7-8-24-15)17(23)18(2,3)13-5-4-6-14(19)9-13/h4-6,9-10,15H,7-8,11H2,1-3H3,(H,20,21)/t15-/m1/s1.
What are the key properties of 2-(3-fluorophenyl)-2-methyl-1-[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]propan-1-one?
2-(3-fluorophenyl)-2-methyl-1-[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]propan-1-one has a molecular weight of 331.39 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-2-methyl-1-[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]propan-1-one is sourced from PubChem (CID 124949023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).